Monomers
Ethyl 2-chloroacrylate
Identifiers
IUPAC name
ethyl 2-chloroprop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
CVUNPKSKGHPMSY-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Cl
Canonical SMILES
CCOC(=O)C(=C)Cl
Isomeric SMILES
CCOC(=O)C(=C)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.302
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.2544 0.0425 0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4071 0.5881 -0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0359 0.5858 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6412 -0.6138 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0523 -1.6410 -0.1431 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0587 -0.6318 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8020 0.4439 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8116 -2.1667 0.5396 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.1818 0.6374 0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5446 -1.0022 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6918 0.1570 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 1.6579 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6315 0.0945 -1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3378 1.3966 0.0113 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8542 0.4518 0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers